3-Sulfobenzoic Acid Monosodium Salt TCI S0126

Chemical Identity

CAS No.: 17625-03-5
PubChem: CID 23668512·SID 87575735
Formula: C7H5NaO5S
Molecular weight: 224.17 g/mol
Purity: >95.0%(T)
Reference databases: ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: sodium 3-sulfobenzoate
SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)[O-].[Na+]
InChIKey: KQHKITXZJDOIOD-UHFFFAOYSA-M

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3-Sulfobenzoic Acid Monosodium Salt from TCI is a benzoic acid derivative with a sulfonate group in the meta position. The sulfonate group is present as the sodium salt, while the carboxylic acid group stays as a free acid. In the laboratory, this compound serves as a non-heterocyclic building block for making molecules that need both a carboxylic acid group and a sulfonate group in the same structure. Together, these two groups allow esterification, amidation and metal complex formation, and they help keep the resulting products soluble in polar media.

Researchers choose this material for several reasons. First, the meta arrangement keeps the two functional groups from blocking each other sterically, so reactions at the carboxylic acid group can proceed relatively freely. Second, the ionic sulfonate group gives derived molecules hydrophilicity and a permanent negative charge. These properties help when tuning solubility, electrostatic interactions or antistatic behaviour. Third, the monosodium form is more stable and easier to weigh than the free sulfonic acid, which is usually highly hygroscopic. The compound is also of interest as a ligand or linker in research on materials based on metal coordination.

In Indonesian laboratories, this compound is typically used in university organic chemistry research groups, materials science laboratories and industrial research and development units. These groups need dependable building blocks for synthesis work. Researchers working on water-soluble derivatives, functional materials or coordination compounds use it as a starting material for small-scale synthesis and method development. Because it comes from TCI, a well-known reagent brand, teams can use the same material from one project to the next.

Related TCI products

Esterification reactions: the free carboxylic acid group can be converted into esters, while the sodium sulfonate group keeps the product water-soluble.
Amidation and amide coupling: the carboxylic acid group can react with amines to form amides that carry a permanently charged, hydrophilic sulfonate group.
Synthesis of water-soluble derivatives: the ionic sulfonate group adds hydrophilicity and a negative charge, which helps control the solubility of target molecules in polar media.
Metal complex and coordination chemistry: the carboxylate and sulfonate groups can both interact with metal centres, so the compound works as a ligand or linker in coordination-based material research.
Functional material development: the permanent negative charge from the sulfonate group is useful when studying electrostatic interactions or antistatic properties in modified molecules and materials.

Brand	TCI (product code S0126)
CAS number	17625-03-5
Molecular formula	—
Purity	—
Category	Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes	see the TCI pack sizes listed on the product page
Physical form	—
Storage	keep tightly closed in a cool, dry place; see the TCI label and Safety Data Sheet

Chemical form: monosodium salt, with the sulfonate group as sodium salt and the carboxylic acid group as free acid

Keep 3-Sulfobenzoic Acid Monosodium Salt in its original tightly closed container, in a cool, dry and well-ventilated area away from direct sunlight and moisture. Although the monosodium form handles better than the free sulfonic acid, close the container promptly after each use so it absorbs as little moisture as possible. Keep it away from incompatible substances such as strong oxidising agents. When handling, follow standard laboratory practice: wear safety glasses, gloves and a lab coat, avoid creating or breathing dust, and weigh the material in a well-ventilated area or under a fume hood. Always read the TCI Safety Data Sheet for the full hazard, first-aid and disposal information before use.

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